2-methyl-3-(methyldisulfanyl)propan-1-amine

C5H13NS2 — CID 87177035

IUPAC2-methyl-3-(methyldisulfanyl)propan-1-amine
SMILESCSSCC(C)CN
InChIInChI=1S/C5H13NS2/c1-5(3-6)4-8-7-2/h5H,3-4,6H2,1-2H3
InChIKeySDFOAGOFASRDKP-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-3-(methyldisulfanyl)propan-1-amine

2-methyl-3-(methyldisulfanyl)propan-1-amine (PubChem CID 87177035) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 2-methyl-3-(methyldisulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(methyldisulfanyl)propan-1-amine
PubChem CID87177035
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name2-methyl-3-(methyldisulfanyl)propan-1-amine
SMILESCSSCC(C)CN
InChIInChI=1S/C5H13NS2/c1-5(3-6)4-8-7-2/h5H,3-4,6H2,1-2H3
InChIKeySDFOAGOFASRDKP-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methyldisulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(methyldisulfanyl)propan-1-amine (CID 87177035) is 2-methyl-3-(methyldisulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(methyldisulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(methyldisulfanyl)propan-1-amine is CSSCC(C)CN.
What is the InChIKey of 2-methyl-3-(methyldisulfanyl)propan-1-amine?
The InChIKey is SDFOAGOFASRDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-5(3-6)4-8-7-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-3-(methyldisulfanyl)propan-1-amine?
2-methyl-3-(methyldisulfanyl)propan-1-amine has a molecular weight of 151.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methyldisulfanyl)propan-1-amine is sourced from PubChem (CID 87177035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).